(4-methyl-1,3-thiazol-2-yl)methanamine hydrochloride

• ChemBase ID: 802091
• Molecular Formular: C5H9ClN2S
• Molecular Mass: 164.65636
• Monoisotopic Mass: 164.01749698
• SMILES: Cl.C(N)c1scc(n1)C
• Canonical SMILES: Cc1csc(n1)CN.Cl
• InChI: InChI=1S/C5H8N2S.ClH/c1-4-3-8-5(2-6)7-4;/h3H,2,6H2,1H3;1H
• InChIKey: ZUJSBRDBMOIFAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methyl-1,3-thiazol-2-yl)methanamine hydrochloride
• IUPAC Traditional name: (4-methyl-1,3-thiazol-2-yl)methanamine hydrochloride
• Synonyms: 1-(4-METHYL-1,3-THIAZOL-2-YL)METHANAMINE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4355993
• LogD (pH = 7.4): -0.7418667
• Log P: -0.03765635
• Molar Refractivity: 33.6583 cm^3
• Polarizability: 13.235595 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%